{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.326606 0.144189 ] [ 0.5 0.326606 0.855811 ] [ 0.5 0.673394 0.144189 ] [ 0 0.673394 0.855811 ] [ 0.5 0.826606 0.644189 ] [ 0 0.826606 0.355811 ] [ 0 0.173394 0.644189 ] [ 0.5 0.173394 0.355811 ] [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0 0.178089 0.90019 ] [ 0.5 0.821911 0.90019 ] [ 0.5 0.178089 0.09981 ] [ 0 0.821911 0.09981 ] [ 0.5 0.678089 0.40019 ] [ 0 0.321911 0.40019 ] [ 0 0.678089 0.59981 ] [ 0.5 0.321911 0.59981 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Mn" "Mn" "Mn" "Mn" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.28899036599 "source-unit" "angstrom" } "b" { "source-value" 8.03620144297 "source-unit" "angstrom" } "c" { "source-value" 15.4551530162 "source-unit" "angstrom" } }